F899-0086 Screening compound: 2-(1-{[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroisoquinoline

F899-0086 Screening compound: 2-(1-{[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroisoquinoline
F899-0086 Screening compound: 2-(1-{[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound F899-0086
2-(1-{[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroisoquinoline

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F899-0086

Molecular Formula

C24H30N4O4S (C24 H30 N4 O4 S)

Compound Name

2-(1-{[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(1-{[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-3-carbonyl)-1234-tetrahydroisoquinoline

SMILES

O=C(C(CCC1)CN1S(c1c[nH]c(C(N2CCCC2)=O)c1)(=O)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C24H30N4O4S/c29-23(27-13-9-18-6-1-2-7-19(18)16-27)20-8-5-12-28(17-20)33(31,32)21-14-22(25-15-21)24(30)26-10-3-4-11-26/h1-2,6-7,14-15,20,25H,3-5,8-13,16-17H2/t20-/m0/s1

InChI Key

WIEVMFDVIQVNKF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27203233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.245

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.84

Polar Surface Area

75.363

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

F899-0086 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F899-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F899-0086?
Check Price and Availability of F899-0086, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F899-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F899-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F899-0086
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F899-0086 available by request